SCHEMBL3624877

SCHEMBL3624877

CCCCCOc1ccc(C=Nc2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.49
ACR P10323 1/20 0.49
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
PLA2G4B P0C869 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP19A1 P11511 1/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
RARB P10826 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3624875 1.00 PRSS1 (0.49) PRSS1ACRTSHRTP53TDP1
SCHEMBL12416875 0.98 PRSS1 (0.51) PRSS1ACRTSHRTDP1L3MBTL1
SCHEMBL12306095 0.93 NPC1 (0.53) PRSS1ACRTSHRTP53PLA2G4B
SCHEMBL12416648 0.93 NPC1 (0.53) PRSS1ACRTSHRTP53PLA2G4B
SCHEMBL10398191 0.88 CA1 (0.61) TSHRTP53CA1CA2PLA2G4B
SCHEMBL10614171 0.87 MAPT (0.48) PRSS1ACRTSHRTP53CA1
SCHEMBL12417146 0.86 TP53 (0.68) TSHRTP53CA1CA2PLA2G4B
SCHEMBL10609526 0.86 MAPT (0.47) PRSS1ACRTSHRTP53CA1
SCHEMBL10610113 0.86 MAPT (0.47) PRSS1ACRTSHRTP53CA1
SCHEMBL10611960 0.86 MAPT (0.47) PRSS1ACRTSHRTP53CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100302487-A1 PHASE COMPENSATION FILM DOW GLOBAL TECHNOLOGIES LLC 2010-12-02 US disclosed
US-20100294989-A1 SMALL SCALE FUNCTIONAL MATERIALS DOW GLOBAL TECHNOLOGIES LLC 2010-11-25 US disclosed
EP-2231760-A1 SMALL SCALE FUNCTIONAL MATERIALS Dow Global Technologies Inc. (US) 2010-09-29 EP disclosed
EP-2225604-A1 PHASE COMPENSATION FILM COMPRISING POLYMER NANOPARTICLES IMBIBED WITH LIQUID CRYSTAL MATERIAL Dow Global Technologies Inc. (US) 2010-09-08 EP disclosed
WO-2009085083-A1 PHASE COMPENSATION FILM COMPRISING POLYMER NANOPARTICLES IMBIBED WITH LIQUID CRYSTAL MATERIAL DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-09 WO disclosed
WO-2009085082-A1 SMALL SCALE FUNCTIONAL MATERIALS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-09 WO disclosed